#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kg1 s ARG 2 N 0.00 2.49 0.00 -1.24 0.52 -1.26 -5.11 118.95 114.35 1kg1 s ARG 2 Ca 0.00 -1.11 0.00 0.00 -0.52 0.00 0.00 55.73 54.10 1kg1 s ARG 2 Cb 0.00 -2.39 0.00 0.00 0.52 0.00 0.00 34.95 33.08 1kg1 s ARG 2 CO 0.00 0.44 0.00 0.00 0.02 0.00 0.00 175.30 175.76 1kg1 s ARG 4 N -2.00 3.38 -0.27 0.00 3.52 -1.01 -4.96 118.95 117.61 1kg1 s ARG 4 Ca 0.00 -2.54 -0.35 0.00 -0.13 0.00 0.00 55.73 52.71 1kg1 s ARG 4 Cb 0.00 -4.26 -0.12 0.00 -1.56 0.00 0.00 34.95 29.02 1kg1 s ARG 4 CO 0.00 -1.26 2.05 0.66 -0.81 0.00 0.00 175.30 175.94 1kg1 n TYR 5 N 3.75 1.86 -4.40 5.12 4.01 -1.26 -4.20 117.16 122.04 1kg1 n TYR 5 Ca 0.13 0.24 -0.20 0.00 -0.16 0.00 0.00 57.90 57.90 1kg1 n TYR 5 Cb 0.44 -2.56 -0.10 0.00 -0.31 0.00 0.00 39.34 36.81 1kg1 n TYR 5 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1kg1 s THR 6 N 6.03 1.69 -0.45 -0.72 2.01 0.21 -4.90 115.64 119.51 1kg1 s THR 6 Ca 1.04 -2.16 -0.20 0.00 0.31 0.00 0.00 61.69 60.68 1kg1 s THR 6 Cb -0.83 -2.31 0.03 0.00 0.01 0.00 0.00 72.50 69.40 1kg1 s THR 6 CO 0.52 -0.40 0.60 -0.76 -0.69 0.00 0.00 174.62 173.89 1kg1 s LEU 7 N -3.40 4.65 0.23 4.42 1.02 -1.26 0.37 118.68 124.70 1kg1 s LEU 7 Ca 0.27 -0.50 0.06 0.00 0.02 0.00 0.00 54.13 53.98 1kg1 s LEU 7 Cb 0.02 -2.61 -0.04 0.00 0.02 0.00 0.00 46.19 43.58 1kg1 s LEU 7 CO 0.10 -0.76 0.19 0.00 0.02 0.00 0.00 176.35 175.90 1kg1 h ASP 10 N 1.43 0.00 0.00 0.00 1.82 -1.62 -3.39 116.42 114.66 1kg1 h ASP 10 Ca -0.48 -0.22 0.00 0.00 -0.39 0.00 0.00 57.03 55.94 1kg1 h ASP 10 Cb 1.19 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.20 1kg1 h ASP 10 CO 0.65 0.11 0.00 0.61 -1.61 0.00 0.00 179.24 179.00 1kg1 n GLY 11 N 1.33 2.82 2.51 -0.78 0.00 -1.26 -4.68 105.19 105.14 1kg1 n GLY 11 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1kg1 n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kg1 n ALA 12 N -0.21 0.31 0.00 4.61 0.00 -1.26 -5.04 120.51 118.92 1kg1 n ALA 12 Ca 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 53.44 51.21 1kg1 n ALA 12 Cb 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1kg1 n ALA 12 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1kg1 n LEU 13 N 0.43 0.00 0.00 0.00 7.94 -1.26 -5.17 117.00 118.94 1kg1 n LEU 13 Ca 0.14 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.94 1kg1 n LEU 13 Cb 0.68 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.61 1kg1 n LEU 13 CO 0.11 0.00 0.16 0.29 -1.11 0.00 0.00 177.39 176.84 1kg1 n LYS 14 N 0.00 0.54 -3.35 1.96 4.76 -1.26 -4.97 118.16 115.85 1kg1 n LYS 14 Ca 0.00 -1.86 -0.40 0.00 -2.87 0.00 0.00 58.31 53.18 1kg1 n LYS 14 Cb 0.00 1.87 -0.09 0.00 -1.84 0.00 0.00 35.03 34.97 1kg1 n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1kg1 s ALA 15 N -2.28 3.52 0.46 7.82 0.00 -1.26 -1.73 121.76 128.29 1kg1 s ALA 15 Ca 0.18 -0.98 0.05 0.00 0.00 0.00 0.00 51.96 51.21 1kg1 s ALA 15 Cb -0.01 -2.84 -0.03 0.00 0.00 0.00 0.00 23.12 20.24 1kg1 s ALA 15 CO 0.13 -0.94 0.11 0.54 0.00 0.00 0.00 175.76 175.60 1kg1 s VAL 16 N 2.15 1.76 0.29 0.00 0.11 0.34 -4.90 120.40 120.15 1kg1 s VAL 16 Ca 0.15 -1.85 -0.13 0.00 -2.93 0.00 0.00 61.98 57.23 1kg1 s VAL 16 Cb -0.16 -2.60 -0.08 0.00 -1.53 0.00 0.00 36.38 32.00 1kg1 s VAL 16 CO 0.11 0.00 0.67 -0.94 -3.33 0.00 0.00 175.10 171.61 1kg1 s SER 17 N -3.90 6.72 0.09 3.54 1.04 -1.26 0.30 113.70 120.23 1kg1 s SER 17 Ca 0.27 1.15 -0.13 0.00 0.48 0.00 0.00 55.95 57.72 1kg1 s SER 17 Cb 0.04 -2.32 0.02 0.00 0.10 0.00 0.00 66.02 63.86 1kg1 s SER 17 CO 0.15 -0.16 0.29 0.00 0.98 0.00 0.00 173.24 174.50 1kg1 s ALA 18 N -1.92 -0.59 -0.63 5.32 0.00 0.16 -4.81 121.76 119.28 1kg1 s ALA 18 Ca 0.52 -0.26 -0.05 0.00 0.00 0.00 0.00 51.96 52.17 1kg1 s ALA 18 Cb -0.11 0.51 0.16 0.00 0.00 0.00 0.00 23.12 23.69 1kg1 s ALA 18 CO 0.19 -0.53 0.47 0.00 0.00 0.00 0.00 175.76 175.89 1kg1 s LEU 20 N 0.14 2.58 0.52 0.00 1.02 -1.26 -4.95 118.68 116.73 1kg1 s LEU 20 Ca 0.16 -0.96 0.07 0.00 0.02 0.00 0.00 54.13 53.42 1kg1 s LEU 20 Cb -0.19 -1.16 0.05 0.00 0.02 0.00 0.00 46.19 44.91 1kg1 s LEU 20 CO -0.04 0.06 0.72 -1.00 0.02 0.00 0.00 176.35 176.11 1kg1 s HIS 21 N -2.25 2.17 0.36 0.29 3.76 -1.26 -2.39 115.29 115.98 1kg1 s HIS 21 Ca 0.27 -0.47 0.10 0.00 -0.15 0.00 0.00 55.06 54.82 1kg1 s HIS 21 Cb -0.06 -2.42 0.70 0.00 1.11 0.00 0.00 32.58 31.92 1kg1 s HIS 21 CO 0.14 -0.87 1.84 0.93 -0.85 0.00 0.00 174.74 175.93 1kg1 h GLU 22 N 0.29 0.15 0.00 1.40 5.08 -1.99 -0.84 114.58 118.67 1kg1 h GLU 22 Ca -0.36 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1kg1 h GLU 22 Cb 1.28 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1kg1 h GLU 22 CO 0.44 0.42 0.00 0.43 -1.00 0.00 0.00 179.01 179.29 1kg1 n SER 23 N -4.17 0.00 -4.24 1.42 7.64 -1.26 -4.74 113.62 108.27 1kg1 n SER 23 Ca -0.01 -1.18 -0.24 0.00 1.01 0.00 0.00 58.87 58.45 1kg1 n SER 23 Cb 0.36 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.42 1kg1 n SER 23 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1kg1 s GLU 24 N -2.00 1.23 0.04 1.43 2.12 -0.32 -5.15 118.70 116.06 1kg1 s GLU 24 Ca 0.35 -0.98 0.04 0.00 0.36 0.00 0.00 54.97 54.74 1kg1 s GLU 24 Cb 0.16 -1.38 -0.02 0.00 0.26 0.00 0.00 34.13 33.15 1kg1 s GLU 24 CO 0.27 0.34 -0.12 0.45 -0.54 0.00 0.00 175.26 175.66 1kg1 s SER 25 N -1.40 1.37 0.43 -1.70 0.15 -1.26 -4.50 113.70 106.80 1kg1 s SER 25 Ca 0.06 -0.47 0.03 0.00 0.70 0.00 0.00 55.95 56.27 1kg1 s SER 25 Cb -0.09 -0.06 -0.02 0.00 -1.71 0.00 0.00 66.02 64.14 1kg1 s SER 25 CO 0.02 -0.04 0.10 0.00 1.20 0.00 0.00 173.24 174.53 1kg1 n LEU 27 N -1.00 2.32 -4.77 0.00 7.94 -1.26 -4.89 117.00 115.34 1kg1 n LEU 27 Ca -0.09 -2.52 -0.40 0.00 -1.11 0.00 0.00 56.01 51.90 1kg1 n LEU 27 Cb 0.65 -1.29 -0.01 0.00 0.53 0.00 0.00 43.42 43.30 1kg1 n LEU 27 CO 0.36 -2.04 0.97 0.54 -1.11 0.00 0.00 177.39 176.11 1kg1 s VAL 28 N 10.44 2.60 0.00 1.96 0.11 -1.26 0.29 120.40 134.53 1kg1 s VAL 28 Ca 0.70 0.55 0.00 0.00 -2.93 0.00 0.00 61.98 60.29 1kg1 s VAL 28 Cb 0.05 -3.33 0.00 0.00 -1.53 0.00 0.00 36.38 31.58 1kg1 s VAL 28 CO 0.20 0.09 0.00 -0.81 -3.33 0.00 0.00 175.10 171.25 1kg1 n PRO 29 N 0.25 -0.43 -3.78 1.54 -0.04 -1.26 -4.86 135.00 126.42 1kg1 n PRO 29 Ca 0.03 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.38 1kg1 n PRO 29 Cb 0.43 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.82 1kg1 n PRO 29 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1kg1 s GLY 30 N -2.67 -0.06 -0.21 0.55 0.00 -0.11 -5.01 107.32 99.82 1kg1 s GLY 30 Ca 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 44.72 44.45 1kg1 s GLY 30 CO 0.00 -0.42 0.03 0.99 0.00 0.00 0.00 173.10 173.71 1kg1 s ASP 31 N -2.37 5.14 -0.25 1.64 1.11 -1.26 -1.44 116.67 119.24 1kg1 s ASP 31 Ca -0.01 -0.12 -0.09 0.00 0.18 0.00 0.00 52.55 52.51 1kg1 s ASP 31 Cb 0.01 -1.89 -0.04 0.00 1.07 0.00 0.00 42.92 42.07 1kg1 s ASP 31 CO -0.07 0.07 0.12 0.00 1.18 0.00 0.00 175.17 176.48 1kg1 s ARG 34 N 0.16 1.21 0.60 0.00 3.52 0.14 0.27 118.95 124.85 1kg1 s ARG 34 Ca 0.17 -1.97 0.00 0.00 -0.13 0.00 0.00 55.73 53.80 1kg1 s ARG 34 Cb -0.13 -2.19 0.00 0.00 -1.56 0.00 0.00 34.95 31.07 1kg1 s ARG 34 CO 0.05 -1.18 0.00 0.41 -0.81 0.00 0.00 175.30 173.76 1kg1 n GLY 35 N 3.52 1.14 0.64 8.12 0.00 -1.26 -0.91 105.19 116.44 1kg1 n GLY 35 Ca 0.10 0.46 0.02 0.00 0.00 0.00 0.00 46.02 46.60 1kg1 n GLY 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1kg1 n LYS 36 N 0.00 0.20 -3.92 1.61 5.02 -1.26 -5.03 118.16 114.77 1kg1 n LYS 36 Ca 0.00 -1.44 -0.28 0.00 -2.02 0.00 0.00 58.31 54.58 1kg1 n LYS 36 Cb 0.00 -0.56 -0.17 0.00 -0.02 0.00 0.00 35.03 34.29 1kg1 n LYS 36 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1kg1 s SER 37 N -1.47 2.43 0.07 4.39 0.01 -0.09 -5.13 113.70 113.91 1kg1 s SER 37 Ca 0.11 -0.42 -0.05 0.00 1.31 0.00 0.00 55.95 56.90 1kg1 s SER 37 Cb 0.12 -0.92 -0.05 0.00 0.21 0.00 0.00 66.02 65.38 1kg1 s SER 37 CO -0.03 -0.13 0.31 0.00 0.41 0.00 0.00 173.24 173.80 1kg1 s ARG 38 N 1.65 3.58 0.05 12.44 1.70 -1.26 0.26 118.95 137.37 1kg1 s ARG 38 Ca 0.04 -0.13 -0.01 0.00 -0.47 0.00 0.00 55.73 55.16 1kg1 s ARG 38 Cb -0.13 -2.98 -0.04 0.00 -0.57 0.00 0.00 34.95 31.23 1kg1 s ARG 38 CO -0.08 0.57 -0.02 -1.17 -1.08 0.00 0.00 175.30 173.51 1kg1 s LEU 39 N -2.24 2.44 -0.12 -1.89 2.96 0.55 -4.96 118.68 115.42 1kg1 s LEU 39 Ca 0.34 -0.97 -0.03 0.00 -0.22 0.00 0.00 54.13 53.25 1kg1 s LEU 39 Cb -0.13 0.22 0.05 0.00 0.50 0.00 0.00 46.19 46.83 1kg1 s LEU 39 CO 0.22 -0.59 0.06 -0.89 -1.32 0.00 0.00 176.35 173.82 1kg1 s THR 40 N -3.82 0.09 0.09 3.68 2.01 -1.26 0.27 115.64 116.70 1kg1 s THR 40 Ca 0.06 -0.02 -0.01 0.00 0.31 0.00 0.00 61.69 62.04 1kg1 s THR 40 Cb 0.07 -0.53 0.00 0.00 0.01 0.00 0.00 72.50 72.06 1kg1 s THR 40 CO -0.10 -0.05 0.13 0.18 -0.69 0.00 0.00 174.62 174.10 1kg1 n LEU 41 N 5.22 0.00 -4.37 4.42 4.77 -0.52 -4.97 117.00 121.56 1kg1 n LEU 41 Ca -0.06 -0.67 -0.35 0.00 -0.03 0.00 0.00 56.01 54.90 1kg1 n LEU 41 Cb 0.49 0.65 -0.13 0.00 -2.33 0.00 0.00 43.42 42.10 1kg1 n LEU 41 CO 0.09 -0.16 -0.36 0.00 -1.33 0.00 0.00 177.39 175.63 1kg1 s SER 43 N 1.26 -1.22 0.54 0.00 0.15 -1.26 -5.03 113.70 108.14 1kg1 s SER 43 Ca 0.03 1.21 0.02 0.00 0.70 0.00 0.00 55.95 57.92 1kg1 s SER 43 Cb -0.14 2.20 0.01 0.00 -1.71 0.00 0.00 66.02 66.38 1kg1 s SER 43 CO -0.00 -0.23 0.16 -0.31 1.20 0.00 0.00 173.24 174.06 1kg1 s TYR 44 N 2.87 1.69 0.00 3.44 1.51 -1.26 -0.95 117.35 124.64 1kg1 s TYR 44 Ca 0.06 -0.94 0.00 0.00 -1.01 0.00 0.00 57.07 55.18 1kg1 s TYR 44 Cb -0.13 -1.71 0.00 0.00 -0.11 0.00 0.00 41.96 40.01 1kg1 s TYR 44 CO -0.20 -0.07 0.00 0.41 -1.11 0.00 0.00 175.55 174.58 1kg1 n GLY 45 N -1.49 5.45 0.00 0.71 0.00 -1.26 -4.43 105.19 104.18 1kg1 n GLY 45 Ca -0.14 -1.17 0.01 0.00 0.00 0.00 0.00 46.02 44.72 1kg1 n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1kg1 n GLU 46 N 0.00 0.97 -1.35 1.61 4.71 -1.26 -4.83 120.64 120.49 1kg1 n GLU 46 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1kg1 n GLU 46 Cb 0.00 -1.02 0.00 0.00 -1.01 0.00 0.00 31.44 29.41 1kg1 n GLU 46 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1kg1 n GLY 47 N 0.48 0.90 0.65 0.62 0.00 -1.26 -5.06 105.19 101.53 1kg1 n GLY 47 Ca 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1kg1 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kg1 n GLY 48 N -1.31 -0.04 2.03 -0.02 0.00 -1.26 -4.81 105.19 99.78 1kg1 n GLY 48 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1kg1 n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kg1 n ASN 49 N -2.37 5.38 0.00 1.61 2.85 -1.26 -4.98 115.26 116.49 1kg1 n ASN 49 Ca 0.00 -3.75 0.00 0.00 -0.11 0.00 0.00 54.58 50.72 1kg1 n ASN 49 Cb 0.00 -0.76 0.00 0.00 1.24 0.00 0.00 39.78 40.26 1kg1 n ASN 49 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1kg1 n GLY 50 N -0.97 0.51 3.90 8.20 0.00 -1.26 -4.72 105.19 110.86 1kg1 n GLY 50 Ca 0.53 0.38 -0.28 0.00 0.00 0.00 0.00 46.02 46.65 1kg1 n GLY 50 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1kg1 s PHE 51 N 0.00 3.50 -0.46 1.61 5.36 -1.26 -4.10 117.98 122.63 1kg1 s PHE 51 Ca 0.00 0.85 0.08 0.00 -0.96 0.00 0.00 56.93 56.91 1kg1 s PHE 51 Cb 0.00 -2.48 0.28 0.00 -0.34 0.00 0.00 43.02 40.48 1kg1 s PHE 51 CO 0.00 -0.48 0.67 0.94 -1.46 0.00 0.00 175.22 174.89 1kg1 n GLN 52 N -2.43 1.49 -1.40 10.12 0.00 -0.13 -4.70 117.38 120.33 1kg1 n GLN 52 Ca 0.02 -3.78 -0.37 0.00 -0.00 0.00 0.00 57.00 52.87 1kg1 n GLN 52 Cb 0.56 -1.69 0.05 0.00 0.00 0.00 0.00 30.24 29.16 1kg1 n GLN 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1kg1 s PRO 54 N -2.44 1.52 0.10 0.00 0.04 -1.26 -4.91 135.00 128.05 1kg1 s PRO 54 Ca 0.68 0.43 -0.31 0.00 0.04 0.00 0.00 61.00 61.84 1kg1 s PRO 54 Cb -0.40 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.18 1kg1 s PRO 54 CO 0.55 -1.97 1.68 0.99 0.04 0.00 0.00 177.00 178.29 1kg1 s THR 55 N -3.23 2.81 0.00 1.26 2.01 -1.26 -1.53 115.64 115.69 1kg1 s THR 55 Ca 0.63 0.36 0.00 0.00 0.31 0.00 0.00 61.69 62.99 1kg1 s THR 55 Cb -0.15 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.13 1kg1 s THR 55 CO 0.54 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.08 1kg1 n GLY 56 N 4.00 0.31 3.82 4.40 0.00 -1.26 -5.07 105.19 111.40 1kg1 n GLY 56 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1kg1 n GLY 56 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kg1 s TYR 57 N -2.00 1.92 0.18 1.61 2.02 -0.58 -4.83 117.35 115.66 1kg1 s TYR 57 Ca 0.00 -0.83 -0.00 0.00 -0.37 0.00 0.00 57.07 55.87 1kg1 s TYR 57 Cb 0.00 -1.82 0.00 0.00 -0.40 0.00 0.00 41.96 39.74 1kg1 s TYR 57 CO 0.00 -0.09 0.24 2.89 -1.57 0.00 0.00 175.55 177.02 1kg1 n ARG 58 N -1.48 0.34 -3.23 -0.62 1.85 0.14 -4.82 116.66 108.84 1kg1 n ARG 58 Ca -0.08 -1.51 -0.39 0.00 -1.00 0.00 0.00 57.85 54.87 1kg1 n ARG 58 Cb 0.65 1.41 -0.07 0.00 -1.05 0.00 0.00 32.46 33.41 1kg1 n ARG 58 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 1kg1 s GLN 59 N -2.47 4.20 0.00 2.89 0.74 -1.26 0.49 119.66 124.25 1kg1 s GLN 59 Ca 0.16 0.44 0.32 0.00 0.05 0.00 0.00 55.36 56.33 1kg1 s GLN 59 Cb -0.00 -3.56 1.91 0.00 1.10 0.00 0.00 33.01 32.46 1kg1 s GLN 59 CO 0.12 -0.14 2.23 0.00 -0.55 0.00 0.00 175.29 176.94